1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine

C15H26N2O3S — CID 115601880

IUPAC1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O
InChIInChI=1S/C15H26N2O3S/c1-6-7-16-13(10-21(5,18)19)8-14-12(3)15(20-4)11(2)9-17-14/h9,13,16H,6-8,10H2,1-5H3
InChIKeyHLQBLIWJMCAYTR-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.66
Rot. Bonds8

About 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine (PubChem CID 115601880) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
PubChem CID115601880
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O
InChIInChI=1S/C15H26N2O3S/c1-6-7-16-13(10-21(5,18)19)8-14-12(3)15(20-4)11(2)9-17-14/h9,13,16H,6-8,10H2,1-5H3
InChIKeyHLQBLIWJMCAYTR-UHFFFAOYSA-N
XLogP1.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79412204
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfanylpropan-2-amine
CID 62691956
1,1,1-trifluoro-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-propylpropan-2-amine
CID 115844014
N-ethyl-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115843933
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyloctan-2-amine
CID 115843906
3-(4-methoxy-3,5-dimethyl-2-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 62531087
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)pentan-2-amine
CID 62601079
N-ethyl-5-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 105136877
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)octan-2-amine
CID 115844000
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
N-ethyl-3-methoxy-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)hexan-2-amine
CID 116719078
1-methylsulfonyl-N-propyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115601465

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine (CID 115601880) is 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine is CCCNC(Cc1ncc(C)c(OC)c1C)CS(C)(=O)=O.
What is the InChIKey of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine?
The InChIKey is HLQBLIWJMCAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-7-16-13(10-21(5,18)19)8-14-12(3)15(20-4)11(2)9-17-14/h9,13,16H,6-8,10H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine?
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine has a molecular weight of 314.45 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-methylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 115601880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).